Geometry & MOs

Info

ID:	124228
PubChem CID:	50875568
Reduced:	S3N4O4H20C26 (1)
Stoich.:	A3B4C4D20E26 (1)
Weight, g/mol:	463.039559
ΔH_f, kcal/mol:	2.49
Dipole, Da:	3.34
IP(EA), eV:	-8.98(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3/C(=C\4/C(=O)N(C(=S)S4)NC(=O)C5=CC=CS5)/C2=O

DOS

IR

Vibrations